N'-pentylmethanesulfonohydrazide

C6H16N2O2S — CID 174799641

IUPACN'-pentylmethanesulfonohydrazide
SMILESCCCCCNNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-4-5-6-7-8-11(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyXFAZANILSFZJTO-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.23
Rot. Bonds6

About N'-pentylmethanesulfonohydrazide

N'-pentylmethanesulfonohydrazide (PubChem CID 174799641) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N'-pentylmethanesulfonohydrazide.

Molecular Properties

Compound NameN'-pentylmethanesulfonohydrazide
PubChem CID174799641
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN'-pentylmethanesulfonohydrazide
SMILESCCCCCNNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-4-5-6-7-8-11(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyXFAZANILSFZJTO-UHFFFAOYSA-N
XLogP0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-diheptylhydrazine
CID 11195547
1-decyl-2-octylhydrazine
CID 154085192
butane;ethane;methanesulfonic acid;octane
CID 144526252
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021
1-pentyl-2-propylhydrazine
CID 20568459
1-butyl-2-octylhydrazine
CID 88598240
heptane;methylsulfonylmethane
CID 176706405
1-(2-sulfinohydrazinyl)pentane
CID 90384129
methanesulfonic acid;pentylphosphane
CID 174954558
1-dodecyl-3-methylsulfonylurea
CID 87913843
N'-(2-hydroxyethyl)pentane-1-sulfonohydrazide
CID 88525248
sulfuric acid;tridecane
CID 91872702

Frequently Asked Questions

What is the IUPAC name of N'-pentylmethanesulfonohydrazide?
The IUPAC name of N'-pentylmethanesulfonohydrazide (CID 174799641) is N'-pentylmethanesulfonohydrazide.
What is the SMILES notation for N'-pentylmethanesulfonohydrazide?
The canonical SMILES for N'-pentylmethanesulfonohydrazide is CCCCCNNS(C)(=O)=O.
What is the InChIKey of N'-pentylmethanesulfonohydrazide?
The InChIKey is XFAZANILSFZJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-3-4-5-6-7-8-11(2,9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of N'-pentylmethanesulfonohydrazide?
N'-pentylmethanesulfonohydrazide has a molecular weight of 180.27 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentylmethanesulfonohydrazide is sourced from PubChem (CID 174799641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).